SCHEMBL3940425

SCHEMBL3940425

COCCCCc1cc(CO[C@@H]2CC[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)N(S(=O)(=O)c3ccc(C)cc3)C2)cc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.34
CASP3 P42574 4/20 0.33
CASP7 P55210 3/20 0.33
GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4060017 0.89 CASP3 (0.36) FKBP1ACASP3CASP7GAA
SCHEMBL4060012 0.89 CASP3 (0.36) FKBP1ACASP3CASP7GAA
SCHEMBL3929383 0.88 FKBP1A (0.37) FKBP1ACASP3CASP7GAA
SCHEMBL4314282 0.88 FKBP1A (0.35) FKBP1ACASP3CASP7GAA
SCHEMBL3942325 0.88 FKBP1A (0.35) FKBP1ACASP3CASP7GAA
SCHEMBL3932125 0.83 FKBP1A (0.37) FKBP1ACASP3CASP7GAA
SCHEMBL3942855 0.83 GAA (0.36) FKBP1ACASP3CASP7GAA
SCHEMBL3930174 0.79 FKBP1A (0.42) FKBP1ACASP3CASP7GAA
SCHEMBL4050149 0.78 CNR2 (0.36) FKBP1AGAA
SCHEMBL3928296 0.77 REN (0.35) CASP3CASP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 FKBP1A 2153/4885CASP3 4629/4885CASP7 4322/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.